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• W2121036760 abstract "We study the origin of the resonant x-ray signal in manganites and generalize the resonant cross section to the band-structure framework. With ab initio LSDA and $mathrm{LSDA}+U$ calculations we determine the resonant x-ray spectrum of ${mathrm{LaMnO}}_{3}.$ The calculated spectrum and azimuthal angle dependence at the Mn K edge reproduce the measured data without adjustable parameters. The intensity of this signal is directly related to the orthorhombicity of the lattice. We also predict a resonant x-ray signal at the La L edge, caused by the tilting of the ${mathrm{MnO}}_{6}$ octahedra. This shows that the resonant x-ray signal in the hard x-ray regime can be understood in terms of the band structure of a material and is sensitive to the fine details of crystal structure." @default.
• W2121036760 created "2016-06-24" @default.
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• W2121036760 date "2001-01-22" @default.
• W2121036760 modified "2023-09-27" @default.
• W2121036760 title "Ab initiocalculation of resonant x-ray scattering in manganites" @default.
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• W2121036760 doi "https://doi.org/10.1103/physrevb.63.060408" @default.
• W2121036760 hasPublicationYear "2001" @default.
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